copper;N-[2-(1H-benzimidazol-2-yl)ethyl]-1-quinolin-2-ylmethanimine;dichloride

C19H16Cl2CuN4 — CID 71816376

IUPACcopper;N-[2-(1H-benzimidazol-2-yl)ethyl]-1-quinolin-2-ylmethanimine;dichloride
SMILESC(=N/CCc1nc2ccccc2[nH]1)\c1ccc2ccccc2n1.[Cl-].[Cl-].[Cu+2]
InChIInChI=1S/C19H16N4.2ClH.Cu/c1-2-6-16-14(5-1)9-10-15(21-16)13-20-12-11-19-22-17-7-3-4-8-18(17)23-19;;;/h1-10,13H,11-12H2,(H,22,23);2*1H;/q;;;+2/p-2/b20-13+;;;
InChIKeyUWFGVRZWKAMILK-CNMPVOTBSA-L
MW434.82 g/mol
LogP-2.22
Rot. Bonds4

About copper;N-[2-(1H-benzimidazol-2-yl)ethyl]-1-quinolin-2-ylmethanimine;dichloride

copper;N-[2-(1H-benzimidazol-2-yl)ethyl]-1-quinolin-2-ylmethanimine;dichloride (PubChem CID 71816376) has the molecular formula C19H16Cl2CuN4 and a molecular weight of 434.82 g/mol. Its IUPAC name is copper;N-[2-(1H-benzimidazol-2-yl)ethyl]-1-quinolin-2-ylmethanimine;dichloride.

Molecular Properties

Compound Namecopper;N-[2-(1H-benzimidazol-2-yl)ethyl]-1-quinolin-2-ylmethanimine;dichloride
PubChem CID71816376
Molecular FormulaC19H16Cl2CuN4
Molecular Weight434.82 g/mol
Exact Mass433.00
IUPAC Namecopper;N-[2-(1H-benzimidazol-2-yl)ethyl]-1-quinolin-2-ylmethanimine;dichloride
SMILESC(=N/CCc1nc2ccccc2[nH]1)\c1ccc2ccccc2n1.[Cl-].[Cl-].[Cu+2]
InChIInChI=1S/C19H16N4.2ClH.Cu/c1-2-6-16-14(5-1)9-10-15(21-16)13-20-12-11-19-22-17-7-3-4-8-18(17)23-19;;;/h1-10,13H,11-12H2,(H,22,23);2*1H;/q;;;+2/p-2/b20-13+;;;
InChIKeyUWFGVRZWKAMILK-CNMPVOTBSA-L
XLogP-2.22
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.82
LogP ≤ 5-2.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-quinolin-2-yl-N-[2-(quinolin-2-ylmethylideneamino)ethyl]methanimine
CID 68976214
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-[2-[2-[2-(1H-benzimidazol-2-yl)ethyliminomethyl]phenyl]phenyl]methanimine
CID 10838999
2-[7-(1H-benzimidazol-2-yl)heptyl]-1H-benzimidazole dichloride
CID 21205310
CID 87640795
CID 87640795
(Z)-1-quinolin-2-yl-N-[(Z)-quinolin-2-ylmethylideneamino]methanimine
CID 6299697
copper;2-[2-(1H-benzimidazol-2-yl)ethyliminomethyl]-4-chlorophenolate;isothiocyanate;hydrate
CID 139069480
2-[1-[2-(1H-benzimidazol-2-yl)ethyl]imidazol-2-yl]quinoline
CID 56879841
2-[2-(1H-benzimidazol-2-yl)ethyl]-1,3-diethylguanidine
CID 110914745
N'-[2-(1H-benzimidazol-2-yl)ethyl]-2-sulfanylethanimidamide;dihydrochloride
CID 131875532
O-[2-(1H-benzimidazol-2-yl)ethyl]hydroxylamine
CID 142734516
2-(10-phenyldecyl)-1H-benzimidazole
CID 53277780
3-(1H-benzimidazol-2-yl)propyl-trihydroxysilane
CID 70659054

Frequently Asked Questions

What is the IUPAC name of copper;N-[2-(1H-benzimidazol-2-yl)ethyl]-1-quinolin-2-ylmethanimine;dichloride?
The IUPAC name of copper;N-[2-(1H-benzimidazol-2-yl)ethyl]-1-quinolin-2-ylmethanimine;dichloride (CID 71816376) is copper;N-[2-(1H-benzimidazol-2-yl)ethyl]-1-quinolin-2-ylmethanimine;dichloride.
What is the SMILES notation for copper;N-[2-(1H-benzimidazol-2-yl)ethyl]-1-quinolin-2-ylmethanimine;dichloride?
The canonical SMILES for copper;N-[2-(1H-benzimidazol-2-yl)ethyl]-1-quinolin-2-ylmethanimine;dichloride is C(=N/CCc1nc2ccccc2[nH]1)\c1ccc2ccccc2n1.[Cl-].[Cl-].[Cu+2].
What is the InChIKey of copper;N-[2-(1H-benzimidazol-2-yl)ethyl]-1-quinolin-2-ylmethanimine;dichloride?
The InChIKey is UWFGVRZWKAMILK-CNMPVOTBSA-L. The full InChI is InChI=1S/C19H16N4.2ClH.Cu/c1-2-6-16-14(5-1)9-10-15(21-16)13-20-12-11-19-22-17-7-3-4-8-18(17)23-19;;;/h1-10,13H,11-12H2,(H,22,23);2*1H;/q;;;+2/p-2/b20-13+;;;.
What are the key properties of copper;N-[2-(1H-benzimidazol-2-yl)ethyl]-1-quinolin-2-ylmethanimine;dichloride?
copper;N-[2-(1H-benzimidazol-2-yl)ethyl]-1-quinolin-2-ylmethanimine;dichloride has a molecular weight of 434.82 g/mol, XLogP of -2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for copper;N-[2-(1H-benzimidazol-2-yl)ethyl]-1-quinolin-2-ylmethanimine;dichloride is sourced from PubChem (CID 71816376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).